SCHEMBL7830552

SCHEMBL7830552

COc1ccc2c(c1)OC(C)(C)CC2=NO

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 2/20 0.44
TP53 P04637 1/20 0.44
APP P05067 1/20 0.44
SNCA P37840 1/20 0.44
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAOB P27338 9/20 0.41
PDE4B Q07343 1/20 0.40
HTR2C P28335 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6593237 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL6559505 0.89 KDM4E (0.61) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL6559504 0.89 KDM4E (0.61) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL8649206 0.85 MAOB (0.43) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL6593248 0.85 MAOB (0.43) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL619822 0.82 KDM4E (0.43) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL619821 0.82 KDM4E (0.43) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL10609191 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL10609186 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2
SCHEMBL17027046 0.81 KDM4E (0.44) ALDH1A1KDM4EMAPTTDP1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed